N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C22H21F3N4O2 — CID 53018256

IUPACN-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1ccc(F)cc1F)C2
InChIInChI=1S/C22H21F3N4O2/c1-28-21-8-9-29(22(30)26-19-7-6-15(23)10-18(19)25)11-16(21)20(27-28)13-31-12-14-4-2-3-5-17(14)24/h2-7,10H,8-9,11-13H2,1H3,(H,26,30)
InChIKeyMHFYBOMLCJDJCG-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.14
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018256) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018256
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1ccc(F)cc1F)C2
InChIInChI=1S/C22H21F3N4O2/c1-28-21-8-9-29(22(30)26-19-7-6-15(23)10-18(19)25)11-16(21)20(27-28)13-31-12-14-4-2-3-5-17(14)24/h2-7,10H,8-9,11-13H2,1H3,(H,26,30)
InChIKeyMHFYBOMLCJDJCG-UHFFFAOYSA-N
XLogP4.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018256) is N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1ccc(F)cc1F)C2.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is MHFYBOMLCJDJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-28-21-8-9-29(22(30)26-19-7-6-15(23)10-18(19)25)11-16(21)20(27-28)13-31-12-14-4-2-3-5-17(14)24/h2-7,10H,8-9,11-13H2,1H3,(H,26,30).
What are the key properties of N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).